N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H18N4O — CID 6142473

IUPACN-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\C=C\c1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H18N4O/c22-17(16-14-10-4-5-11-15(14)19-20-16)21-18-12-6-9-13-7-2-1-3-8-13/h1-3,6-9,12H,4-5,10-11H2,(H,19,20)(H,21,22)/b9-6+,18-12-
InChIKeyFEVMTKOCFFTEGJ-YKYHQJSKSA-N
MW294.36 g/mol
LogP2.72
Rot. Bonds4

About N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 6142473) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID6142473
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\C=C\c1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H18N4O/c22-17(16-14-10-4-5-11-15(14)19-20-16)21-18-12-6-9-13-7-2-1-3-8-13/h1-3,6-9,12H,4-5,10-11H2,(H,19,20)(H,21,22)/b9-6+,18-12-
InChIKeyFEVMTKOCFFTEGJ-YKYHQJSKSA-N
XLogP2.72
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 6142473) is N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C\C=C\c1ccccc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is FEVMTKOCFFTEGJ-YKYHQJSKSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(16-14-10-4-5-11-15(14)19-20-16)21-18-12-6-9-13-7-2-1-3-8-13/h1-3,6-9,12H,4-5,10-11H2,(H,19,20)(H,21,22)/b9-6+,18-12-.
What are the key properties of N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 6142473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).